| Properties | Image |
|---|
| MNX_ID | MNXM38456 |
 |
| reference | lipidmapsM:LMPK12110854 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | KITATWPNJIZETK-VEKDQDOUSA-N |
| InChI | InChI=1S/C27H30O15/c1-38-13-3-8(4-14(39-2)20(13)33)12-5-9(28)15-21(34)16(26-23(36)18(31)10(29)6-40-26)22(35)17(25(15)42-12)27-24(37)19(32)11(30)7-41-27/h3-5,10-11,18-19,23-24,26-27,29-37H,6-7H2,1-2H3/t10-,11-,18-,19-,23+,24+,26-,27-/m0/s1 |
| SMILES | COC1=CC(C2=CC(=O)C3=C(O2)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C(O)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C3O)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c1-38-13-3-8(4-14(39-2)20(13)33)12-5-9(28)15-21(34)16(26-23(36)18(31)10(29)6-40-26)22(35)17(25(15)42-12)27-24(37)19(32)11(30)7-41-27/h3-5,10-11,18-19,23-24,26-27,29-37H,6-7H2,1-2H3/t10-,11-,18-,19-,23+,24+,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:13]1=[C:20]([OH:33])[C:14]([O:39][CH3:2])=[CH:4][C:8]([C:12]2=[CH:5][C:9](=[O:28])[C:15]3=[C:21]([OH:34])[C:16]([C@H:26]4[C@H:23]([OH:36])[C@@H:18]([OH:31])[C@@H:10]([OH:29])[CH2:6][O:40]4)=[C:22]([OH:35])[C:17]([C@H:27]4[C@H:24]([OH:37])[C@@H:19]([OH:32])[C@@H:11]([OH:30])[CH2:7][O:41]4)=[C:25]3[O:42]2)=[CH:3]1 |
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